CID 54277191

Rac-tert-butyl n-[(1r,2s)-2-ethenylcyclopropyl]carbamate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C=C
InChI
InChI=1S/C10H17NO2/c1-5-7-6-8(7)11-9(12)13-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8-/m1/s1
InChIKey
ROFOIYIUNVJFOE-HTQZYQBOSA-N
Compound name
tert-butyl N-[(1R,2S)-2-ethenylcyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

183.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 141.5
[M+Na]+ 206.115148 150.0
[M-H]- 182.118654 146.3
[M+NH4]+ 201.159753 156.9
[M+K]+ 222.089088 147.6
[M+H-H2O]+ 166.123190 136.2
[M+HCOO]- 228.124131 163.7
[M+CH3COO]- 242.139781 188.0
[M+Na-2H]- 204.100596 146.2
[M]+ 183.12538142 145.3
[M]- 183.12647858 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe